1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide

C18H26N2O2 — CID 113004076

IUPAC1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-13(2)18(22)20-11-9-16(10-12-20)17(21)19-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,21)
InChIKeyLNGQXPWRBOPKTD-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds4

About 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide (PubChem CID 113004076) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
PubChem CID113004076
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c1-13(2)18(22)20-11-9-16(10-12-20)17(21)19-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,21)
InChIKeyLNGQXPWRBOPKTD-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[2-(dimethylamino)-1-phenylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 78845973
ethyl 4-(1-phenylethylcarbamoyl)piperidine-1-carboxylate
CID 46798149
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-(2-amino-3-methylbutanoyl)-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperidine-4-carboxamide
CID 4836547
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134002034
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]piperidine-4-carboxamide
CID 7093569
[(2S)-4-methyl-1-oxo-1-[4-[[(2S)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl]carbamoyl]piperidin-1-yl]pentan-2-yl]azanium
CID 7093568

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide (CID 113004076) is 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
The InChIKey is LNGQXPWRBOPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)18(22)20-11-9-16(10-12-20)17(21)19-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,21).
What are the key properties of 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).